supernova4869

Pinned Repositories

plotpy
Rust plotting library using Python (Matplotlib)
Language:Rust62 5 146
russell
Rust Scientific Libary. ODE and DAE (Runge-Kutta) solvers. Special functions (Bessel, Elliptic, Beta, Gamma, Erf). Linear algebra. Sparse solvers (MUMPS, UMFPACK). Probability distributions. Tensor calculus.
Language:Rust102 10 98
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Language:Python1.3k 42 2.2k646
cg_param_m3
Language:Python1 0 01
gen-rtp
Language:Rust0 1 00
GetBox-PyMOL-Plugin
A PyMOL Plugin for calculating docking box for LeDock, AutoDock Vina and DSDP.
Language:Python0 0 00
pdb_cleaner
Language:Rust1 1 01
s_mmpbsa
s_mmpbsa: Supernova's tool of calculating binding free energy using molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method.
Language:Rust81
auto_martini
Automatic MARTINI parametrization of small organic molecules
Language:Python57 10 4221
AutoDockTools_py3
Python3 translation of AutoDockTools
Language:Python92 6 627

supernova4869's Repositories

supernova4869/s_mmpbsa
s_mmpbsa: Supernova's tool of calculating binding free energy using molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method.
Language:Rust81
supernova4869/cg_param_m3
Language:Python1 0 01
supernova4869/pdb_cleaner
Language:Rust1 1 01
supernova4869/gen-rtp
Language:Rust0 1 00
supernova4869/GetBox-PyMOL-Plugin
A PyMOL Plugin for calculating docking box for LeDock, AutoDock Vina and DSDP.
Language:Python0 0 00